7,7-dimethyl-11-methylidene-6-azatricyclo[6.3.1.02,6]dodecan-5-one

C14H21NO — CID 564829

IUPAC7,7-dimethyl-11-methylidene-6-azatricyclo[6.3.1.02,6]dodecan-5-one
SMILESC=C1CCC2CC1C1CCC(=O)N1C2(C)C
InChIInChI=1S/C14H21NO/c1-9-4-5-10-8-11(9)12-6-7-13(16)15(12)14(10,2)3/h10-12H,1,4-8H2,2-3H3
InChIKeyQQBMPNKHXHUAEF-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.74
Rot. Bonds

About 7,7-dimethyl-11-methylidene-6-azatricyclo[6.3.1.02,6]dodecan-5-one

7,7-dimethyl-11-methylidene-6-azatricyclo[6.3.1.02,6]dodecan-5-one (PubChem CID 564829) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 7,7-dimethyl-11-methylidene-6-azatricyclo[6.3.1.02,6]dodecan-5-one.

Molecular Properties

Compound Name7,7-dimethyl-11-methylidene-6-azatricyclo[6.3.1.02,6]dodecan-5-one
PubChem CID564829
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name7,7-dimethyl-11-methylidene-6-azatricyclo[6.3.1.02,6]dodecan-5-one
SMILESC=C1CCC2CC1C1CCC(=O)N1C2(C)C
InChIInChI=1S/C14H21NO/c1-9-4-5-10-8-11(9)12-6-7-13(16)15(12)14(10,2)3/h10-12H,1,4-8H2,2-3H3
InChIKeyQQBMPNKHXHUAEF-UHFFFAOYSA-N
XLogP2.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-11-methylidene-6-azatricyclo[6.3.1.02,6]dodecan-5-one?
The IUPAC name of 7,7-dimethyl-11-methylidene-6-azatricyclo[6.3.1.02,6]dodecan-5-one (CID 564829) is 7,7-dimethyl-11-methylidene-6-azatricyclo[6.3.1.02,6]dodecan-5-one.
What is the SMILES notation for 7,7-dimethyl-11-methylidene-6-azatricyclo[6.3.1.02,6]dodecan-5-one?
The canonical SMILES for 7,7-dimethyl-11-methylidene-6-azatricyclo[6.3.1.02,6]dodecan-5-one is C=C1CCC2CC1C1CCC(=O)N1C2(C)C.
What is the InChIKey of 7,7-dimethyl-11-methylidene-6-azatricyclo[6.3.1.02,6]dodecan-5-one?
The InChIKey is QQBMPNKHXHUAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9-4-5-10-8-11(9)12-6-7-13(16)15(12)14(10,2)3/h10-12H,1,4-8H2,2-3H3.
What are the key properties of 7,7-dimethyl-11-methylidene-6-azatricyclo[6.3.1.02,6]dodecan-5-one?
7,7-dimethyl-11-methylidene-6-azatricyclo[6.3.1.02,6]dodecan-5-one has a molecular weight of 219.33 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-11-methylidene-6-azatricyclo[6.3.1.02,6]dodecan-5-one is sourced from PubChem (CID 564829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).